SCHEMBL369612

SCHEMBL369612

CC(C)(C)OC(=O)c1nn(-c2cccc(Br)c2)ccc1=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL368697 0.82 KMT2A (0.58) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL359785 0.81 KMT2A (0.71) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL359590 0.78 KMT2A (0.50) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL255707 0.75 GAA (0.48) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL2497675 0.74 MEN1 (0.49) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL2497671 0.74 MEN1 (0.49) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL10258336 0.73 KMT2A (0.74) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL518582 0.72 GAA (0.68) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL13449429 0.72 GAA (0.45) GAAKMT2AMEN1POLBALDH1A1
SCHEMBL2263107 0.72 GAA (0.45) GAAKMT2AMEN1POLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET GAA 1452/4885KMT2A 730/4885MEN1 1942/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.